Acta Cryst. (2009). E65, o1484-o1485  [ doi:10.1107/S1600536809019461 ]

6-Amino-2,5-bis(pivaloylamino)pyrimidin-4(3H)-one dihydrate

H.-K. Fun, K. Balasubramani, A. Hazra, M. Kumar Das and S. Goswami

Abstract: The asymmetric unit of the title compound, C₁₄H₂₃N₅O₃·2H₂O, contains two crystallographically independent 6-amino-2,5-bis(pivaloylamino)pyrimidin-4(3H)-one molecules (A and B) with similar geometry and four water molecules. In both independent molecules, one of the amide groups is almost coplanar with the pyrimidine ring [dihedral angle of 12.85 (9) in A and 12.30 (10)° in B], whereas the other amide group is significantly twisted away from it [dihedral angle is 72.18 (7) in A and 71.29 (7)° in B]. In each independent molecule, an intramolecular N-HO hydrogen bond generates an S(6) ring motif. Molecules A and B are linked into chains along the a axis by N-HO and C-HO hydrogen bonds. Adjacent chains are linked into a two-dimensional network parallel to the ac plane by water molecules via N-HO and O-HO hydrogen bonds.

Online 6 June 2009

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